Nsp 805
TL;DR: Nsp 805 (CAS 12507-04-9) is a chemical compound with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
Also Known As: Nsp 805, Copper, compd. with magnesium, 4,5-Dihydro-5-methyl-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3-(2H)-pyridazinone, 4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one, 5-Methyl-6-(4-((2-methyl-3-oxocyclopent-1-en-1-yl)amino)phenyl)-4,5-dihydropyridazin-3(2H)-one
| Molecular Formula | C17H19N3O2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.14774 |
| Heavy Atoms | 22 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 12507-04-9 |
|---|---|
| SMILES | CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C |
| InChIKey | DSRIICXPBQXOKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nsp 805 (CAS 12507-04-9), with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol. IUPAC: 4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
Chemical Property Profile of Nsp 805
Property Insights of Nsp 805
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nsp 805. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nsp 805. Following Lipinski's Rule of Five, Nsp 805 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nsp 805?
The CAS number of Nsp 805 is 12507-04-9.
What is the molecular formula of Nsp 805?
The molecular formula of Nsp 805 is C17H19N3O2.
What is the molecular weight of Nsp 805?
The molecular weight of Nsp 805 is 297.15 g/mol.
Where can I buy Nsp 805?
You can request a quote for Nsp 805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nsp 805?
Yes, KEHONG BIO provides custom synthesis services for Nsp 805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.